3-(3-fluorooxan-4-yl)-1-methylazetidine

C9H16FNO — CID 166469484

IUPAC3-(3-fluorooxan-4-yl)-1-methylazetidine
SMILESCN1CC(C2CCOCC2F)C1
InChIInChI=1S/C9H16FNO/c1-11-4-7(5-11)8-2-3-12-6-9(8)10/h7-9H,2-6H2,1H3
InChIKeyXBWJTPVPKNXHPM-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.92
Rot. Bonds1

About 3-(3-fluorooxan-4-yl)-1-methylazetidine

3-(3-fluorooxan-4-yl)-1-methylazetidine (PubChem CID 166469484) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-(3-fluorooxan-4-yl)-1-methylazetidine.

Molecular Properties

Compound Name3-(3-fluorooxan-4-yl)-1-methylazetidine
PubChem CID166469484
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-(3-fluorooxan-4-yl)-1-methylazetidine
SMILESCN1CC(C2CCOCC2F)C1
InChIInChI=1S/C9H16FNO/c1-11-4-7(5-11)8-2-3-12-6-9(8)10/h7-9H,2-6H2,1H3
InChIKeyXBWJTPVPKNXHPM-UHFFFAOYSA-N
XLogP0.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorooxan-4-yl)-1-methylazetidine?
The IUPAC name of 3-(3-fluorooxan-4-yl)-1-methylazetidine (CID 166469484) is 3-(3-fluorooxan-4-yl)-1-methylazetidine.
What is the SMILES notation for 3-(3-fluorooxan-4-yl)-1-methylazetidine?
The canonical SMILES for 3-(3-fluorooxan-4-yl)-1-methylazetidine is CN1CC(C2CCOCC2F)C1.
What is the InChIKey of 3-(3-fluorooxan-4-yl)-1-methylazetidine?
The InChIKey is XBWJTPVPKNXHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-11-4-7(5-11)8-2-3-12-6-9(8)10/h7-9H,2-6H2,1H3.
What are the key properties of 3-(3-fluorooxan-4-yl)-1-methylazetidine?
3-(3-fluorooxan-4-yl)-1-methylazetidine has a molecular weight of 173.23 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorooxan-4-yl)-1-methylazetidine is sourced from PubChem (CID 166469484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).